Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3275401

O=C(O)C(F)(F)F.O=C(c1ccc(OCc2cccc(F)c2)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.55
ALK Q9UM73 2/20 0.55
SPHK2 Q9NRA0 2/20 0.54
NR4A2 P43354 1/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
CHRM4 P08173 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
PARP10 Q53GL7 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
GYS1 P13807 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3275405 1.00 MET (0.55) METALKSPHK2NR4A2MAOB
SCHEMBL3279731 0.95 MET (0.58) METALKSPHK2NR4A2MAOB
SCHEMBL3279727 0.95 MET (0.58) METALKSPHK2NR4A2MAOB
Trifluoroacetic Acid SCHEMBL3275018 0.90 SPHK2 (0.53) METALKSPHK2MAOBHRH3
Trifluoroacetic Acid SCHEMBL5498247 0.90 HRH3 (0.58) METALKSPHK2NR4A2MAOB
Trifluoroacetic Acid SCHEMBL5498248 0.90 HRH3 (0.58) METALKSPHK2NR4A2MAOB
Trifluoroacetic Acid SCHEMBL3275015 0.90 SPHK2 (0.53) METALKSPHK2MAOBHRH3
Trifluoroacetic Acid SCHEMBL5506854 0.90 HRH3 (0.57) METALKSPHK2HRH3SPHK1
Trifluoroacetic Acid SCHEMBL3275399 0.90 HRH3 (0.57) METALKSPHK2HRH3SPHK1
Trifluoroacetic Acid SCHEMBL12095860 0.90 HRH3 (0.56) METALKSPHK2HRH3SPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP claimed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 WO claimed
US-7696234-B2 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY 2009-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases HRH3, HRH4, HCRTR1 MET 903/4885ALK 1133/4885SPHK2 720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.